CID 6478124

5-[(6-methyl(2-pyridyl))methylene]-3-[(phenylsulfonyl)amino]-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C16H13N3O3S3
SMILES
CC1=NC(=CC=C1)/C=C/2\C(=O)N(C(=S)S2)NS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H13N3O3S3/c1-11-6-5-7-12(17-11)10-14-15(20)19(16(23)24-14)18-25(21,22)13-8-3-2-4-9-13/h2-10,18H,1H3/b14-10+
InChIKey
NCLUUDQVNKPYPO-GXDHUFHOSA-N
Compound name
N-[(5E)-5-[(6-methylpyridin-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.0119 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.01918 190.2
[M+Na]+ 414.00112 199.7
[M-H]- 390.00462 196.4
[M+NH4]+ 409.04572 201.1
[M+K]+ 429.97506 190.1
[M+H-H2O]+ 374.00916 183.4
[M+HCOO]- 436.01010 195.8
[M+CH3COO]- 450.02575 214.3
[M+Na-2H]- 411.98657 189.4
[M]+ 391.01135 190.2
[M]- 391.01245 190.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.